1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C20H29N7O — CID 122333383

IUPAC1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCc1cc(N2CCCCC2)nc(N2CCN(C(=O)C(C)n3cccn3)CC2)n1
InChIInChI=1S/C20H29N7O/c1-16-15-18(24-8-4-3-5-9-24)23-20(22-16)26-13-11-25(12-14-26)19(28)17(2)27-10-6-7-21-27/h6-7,10,15,17H,3-5,8-9,11-14H2,1-2H3
InChIKeyBVPRZHTYIYNCDS-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.88
Rot. Bonds4

About 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 122333383) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID122333383
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCc1cc(N2CCCCC2)nc(N2CCN(C(=O)C(C)n3cccn3)CC2)n1
InChIInChI=1S/C20H29N7O/c1-16-15-18(24-8-4-3-5-9-24)23-20(22-16)26-13-11-25(12-14-26)19(28)17(2)27-10-6-7-21-27/h6-7,10,15,17H,3-5,8-9,11-14H2,1-2H3
InChIKeyBVPRZHTYIYNCDS-UHFFFAOYSA-N
XLogP1.88
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 70702951
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031877
(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94004421
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122339823
(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
(3,5-dimethylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 18566524
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 122333383) is 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)C(C)n3cccn3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is BVPRZHTYIYNCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-16-15-18(24-8-4-3-5-9-24)23-20(22-16)26-13-11-25(12-14-26)19(28)17(2)27-10-6-7-21-27/h6-7,10,15,17H,3-5,8-9,11-14H2,1-2H3.
What are the key properties of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 383.50 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 122333383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).